UCSF

ZINC08715457

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2007 27 No

Other Names:

MFCD06274653

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.46 8.21 -59.3 0 5 -1 70 447.33 5
Mid Mid (pH 6-8) 2.88 -3.21 -21.55 0 5 0 63 448.338 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )